SCHEMBL22159673

SCHEMBL22159673

Clc1ccccc1-c1cccc2c1Oc1cccc3c1B2c1ccccc1O3

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.45
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 2/20 0.31
NOTUM Q6P988 1/20 0.31
CYP2A6 P11509 1/20 0.31
DPP4 P27487 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24677288 0.91 AHR (0.36) AHRATMKDM4EMAPK1
SCHEMBL22159664 0.88 AHR (0.41) AHRNPC1RAB9ATP53HPGD
SCHEMBL22159679 0.88 AHR (0.55) AHR
SCHEMBL30542924 0.88 AHR (0.55) AHR
SCHEMBL24632064 0.86 AHR (0.33) AHRATMKDM4EMAPK1
SCHEMBL24632088 0.86 AHR (0.33) AHRATMKDM4EMAPK1
SCHEMBL24676871 0.85 AHR (0.33) AHRATMKDM4EMAPK1
SCHEMBL21793777 0.82 AHR (0.31) AHRATMKDM4EMAPK1
SCHEMBL21793775 0.82 KDM4E (0.32) AHRNPC1RAB9ASMN1; SMN2ATM
SCHEMBL21793774 0.82 AHR (0.33) AHRATMKDM4EMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11248009-B2 Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-02-15 US disclosed
US-11248009-B2 Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-02-15 US disclosed
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-07-02 US disclosed
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-07-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11248009-B2 Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus TYR, AOC2, AOC1 AHR 41/4885NPC1 4010/4885RAB9A 4345/4885
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS TYR, AOC2, AOC1 AHR 41/4885NPC1 4010/4885RAB9A 4345/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.